(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C13H16O4 — CID 116922574

IUPAC(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCCOc1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C13H16O4/c1-2-17-11-5-3-10(4-6-11)12(15)13(7-14)8-16-9-13/h3-6,14H,2,7-9H2,1H3
InChIKeyWHZNNMFIPFBNDK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.28
Rot. Bonds5

About (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116922574) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116922574
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCCOc1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C13H16O4/c1-2-17-11-5-3-10(4-6-11)12(15)13(7-14)8-16-9-13/h3-6,14H,2,7-9H2,1H3
InChIKeyWHZNNMFIPFBNDK-UHFFFAOYSA-N
XLogP1.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922539
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959480
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
(4-ethoxy-3-methylphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921953
(1E,5E)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
CID 20834174

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116922574) is (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is CCOc1ccc(C(=O)C2(CO)COC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is WHZNNMFIPFBNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-17-11-5-3-10(4-6-11)12(15)13(7-14)8-16-9-13/h3-6,14H,2,7-9H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).